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1,2-Pentanediol 98%

CAT: 0286-P04037-02Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0286-P04037-02Size:100 mL
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CAS Number
5343-92-0
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00010736
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

1,2-Pentanediol

structure in first source

CAS Number5343-92-0
PubChem CID93000
IUPAC Namepentane-1,2-diol
Molecular FormulaC5H12O2
Molecular Weight104.15
XLogP0.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity37
SMILES
CCCC(CO)O
InChI
InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3
InChIKey
WCVRQHFDJLLWFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Pentanediol
CAS: 5343-92-0
CID: 93000
Formula: C5H12O2
MW: 104.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight104.15
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass104.083729621
Monoisotopic Mass104.083729621
Topological Polar Surface Area40.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity37.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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